Chem
J-GLOBAL ID：200907005151318616
Nikkaji number：J969.760H
4a,5,7,8,9,10-Hexahydro-6-thia-6H-benzocyclononene
(7Z)-1,3,4,5,6,11a-ヘキサヒドロ-2-ベンゾチオニン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C12H16S
Molecular formula furigana： C12-H16-S
Molecular weight： 192.320
InChI：
InChI=1S/C12H16S/c1-2-6-11-7-3-4-8-12(11)10-13-9-5-1/h3-4,6-8,12H,1-2,5,9-10H2/b11-6-
InChI key：
MKEPBDFVDOCWEL-WDZFZDKYSA-N
SMILES：
C1CC/C=C\2/C=CC=CC2CSC1
Systematic name (3)：
- 4a,5,7,8,9,10-ヘキサヒドロ-6-チア-6H-ベンゾシクロノネン
- (7Z)-1,3,4,5,6,11a-ヘキサヒドロ-2-ベンゾチオニン
- (7Z)-1,3,4,5,6,11a-hexahydro-2-benzothionine
- 4a,5,7,8,9,10-Hexahydro-6-thia-6H-benzocyclononene
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